N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(benzotriazol-1-yl)-N-pentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(benzotriazol-1-yl)-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-benzotriazolyl)-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(benzotriazol-1-yl)acetamide Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H29N7O3/c1-3-5-9-13-26(17(29)14-28-16-11-8-7-10-15(16)24-25-28)18-19(22)27(12-6-4-2)21(31)23-20(18)30/h7-8,10-11H,3-6,9,12-14,22H2,1-2H3,(H,23,30,31)