N-[4-(azepan-1-yl)phenyl]-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C18H24N6OS MolecularWeight: 372.48776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H24N6OS/c19-15-11-16(20)23-18(22-15)26-12-17(25)21-13-5-7-14(8-6-13)24-9-3-1-2-4-10-24/h5-8,11H,1-4,9-10,12H2,(H,21,25)(H4,19,20,22,23)