N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-[(2-nitrophenyl)amino]-N-propyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-[(2-nitrophenyl)amino]-N-propyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(2-nitroanilino)-N-propyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(2-nitroanilino)-N-propylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-nitroanilino)-N-propylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(2-nitroanilino)-N-propyl-propionamide Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])N

InChI

InChI=1S/C20H28N6O5/c1-3-5-13-25-18(21)17(19(28)23-20(25)29)24(12-4-2)16(27)10-11-22-14-8-6-7-9-15(14)26(30)31/h6-9,22H,3-5,10-13,21H2,1-2H3,(H,23,28,29)