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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(benzotriazol-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-benzyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-benzotriazolyl)-N-(phenylmethyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-benzylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-benzyl-acetamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C23H25N7O3/c1-2-3-13-28-21(24)20(22(32)25-23(28)33)29(14-16-9-5-4-6-10-16)19(31)15-30-18-12-8-7-11-17(18)26-27-30/h4-12H,2-3,13-15,24H2,1H3,(H,25,32,33)