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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-furylmethyl)-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-furanylmethyl)-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-furfuryl)-3-(4-nitroimidazol-1-yl)propionamide Formula: C19H23N7O6 MolecularWeight: 445.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CCN3C=C(N=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CCN3C=C(N=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H23N7O6/c1-2-3-7-24-17(20)16(18(28)22-19(24)29)25(10-13-5-4-9-32-13)15(27)6-8-23-11-14(21-12-23)26(30)31/h4-5,9,11-12H,2-3,6-8,10,20H2,1H3,(H,22,28,29)