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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-4-(cyclopropylamino)-3-nitro-benzamide Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O5/c1-4-5-10-26(18-19(23)27(12-13(2)3)22(31)25-20(18)29)21(30)14-6-9-16(24-15-7-8-15)17(11-14)28(32)33/h6,9,11,13,15,24H,4-5,7-8,10,12,23H2,1-3H3,(H,25,29,31)