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

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

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N

InChI

InChI=1S/C22H30N6O5/c1-3-5-11-26(18-19(23)27(12-6-4-2)22(31)25-20(18)29)21(30)14-7-10-16(24-15-8-9-15)17(13-14)28(32)33/h7,10,13,15,24H,3-6,8-9,11-12,23H2,1-2H3,(H,25,29,31)