N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(cyclopropylamino)-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(cyclopropylamino)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(cyclopropylamino)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-4-(cyclopropylamino)-3-nitro-benzamide Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])N

InChI

InChI=1S/C25H28N6O5/c1-2-3-13-29-22(26)21(23(32)28-25(29)34)30(15-16-7-5-4-6-8-16)24(33)17-9-12-19(27-18-10-11-18)20(14-17)31(35)36/h4-9,12,14,18,27H,2-3,10-11,13,15,26H2,1H3,(H,28,32,34)