N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-pentyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-pentyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-pentyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-pentyl-2-(1,2,4-triazol-1-yl)-4-pyridinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(1,2,4-triazol-1-yl)isonicotinamide Formula: C21H28N8O3 MolecularWeight: 440.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=NC=C2)N3C=NC=N3

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=NC=C2)N3C=NC=N3

InChI

InChI=1S/C21H28N8O3/c1-3-5-7-11-27(17-18(22)28(10-6-4-2)21(32)26-19(17)30)20(31)15-8-9-24-16(12-15)29-14-23-13-25-29/h8-9,12-14H,3-7,10-11,22H2,1-2H3,(H,26,30,32)