94I
3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide
Find entries where: 94I
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide |
Identifiers | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide |
Formula | C16 H21 N9 O |
Molecular Weight | 355.398 |
Type | NON-POLYMER |
Isomeric SMILES | [H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N |
InChI | InChI=1S/C16H21N9O/c17-13-12(15(26)24-16(18)19)22-11(10-7-20-9-21-8-10)14(23-13)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H2,17,23)(H4,18,19,24,26) |
InChIKey | BIKUTIAECDVFLJ-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 0 |
Bond Count | 49 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4212068 |
PubChem | 137348787, 142340110 |
ChEMBL | CHEMBL4212068 |