(E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H26N6O3S/c1-3-4-14-30-23(26)22(24(33)27-25(30)34)29(2)20(32)13-12-17-16-31(18-9-6-5-7-10-18)28-21(17)19-11-8-15-35-19/h5-13,15-16H,3-4,14,26H2,1-2H3,(H,27,33,34)/b13-12+