N-[6-azanyl-1-butyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbothioyl-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: N-[6-azanyl-1-butyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbothioyl-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-(6-amino-1-butyl-3-methyl-2,4-dioxo-pyrimidine-5-carbothioyl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[(6-amino-1-butyl-3-methyl-2,4-dioxo-5-pyrimidinyl)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-3-methyl-pyrimidine-5-carbothioyl)-3-(4-nitrophenyl)acrylamide Formula: C19H21N5O5S MolecularWeight: 431.46554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C19H21N5O5S/c1-3-4-11-23-16(20)15(18(26)22(2)19(23)27)17(30)21-14(25)10-7-12-5-8-13(9-6-12)24(28)29/h5-10H,3-4,11,20H2,1-2H3,(H,21,25,30)