1BC
2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one
Find entries where: 1BC
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one |
| Identifiers | 2-[(1S)-1-[(Z)-(6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl]-5H-pyrimidin-4-one |
| Formula | C27 H29 Cl N6 O S |
| Molecular Weight | 521.077 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl |
| InChI | InChI=1S/C27H29ClN6OS/c1-4-5-23-20(21(15-36-23)17-13-30-31-14-17)11-22(26-29-9-8-24(35)33-26)32-25-19-7-6-18(28)10-16(19)12-27(2,3)34-25/h6-7,9-10,13-15,22H,4-5,8,11-12H2,1-3H3,(H,30,31)(H,32,34)/t22-/m0/s1 |
| InChIKey | SHQGADSMADPNBQ-QFIPXVFZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 65 |
| Chiral Atom Count | 1 |
| Bond Count | 69 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137347947 |
