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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-(2-nitroanilino)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propionamide Formula: C21H30N6O5 MolecularWeight: 446.5001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O5/c1-3-5-13-25(18-19(22)26(14-6-4-2)21(30)24-20(18)29)17(28)11-12-23-15-9-7-8-10-16(15)27(31)32/h7-10,23H,3-6,11-14,22H2,1-2H3,(H,24,29,30)