2-(3,5-dimethylpiperidin-1-yl)-4,7-bis(oxidanylidene)-N-(4-prop-1-en-2-ylphenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide hydrate

Systemtic Name: 2-(3,5-dimethylpiperidin-1-yl)-4,7-bis(oxidanylidene)-N-(4-prop-1-en-2-ylphenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide hydrate Openeye Name: 2-(3,5-dimethyl-1-piperidyl)-N-(4-isopropenylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide hydrate CAS Name: 2-(3,5-dimethyl-1-piperidinyl)-N-[4-(1-methylethenyl)phenyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide hydrate IUPAC Name: 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-(4-prop-1-en-2-ylphenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide hydrate Traditional Name: 2-(3,5-dimethylpiperidino)-N-(4-isopropenylphenyl)-4,7-diketo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide hydrate Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=O)C3=C(N2)NC(=O)CC3C(=O)NC4=CC=C(C=C4)C(=C)C)C.O

Isomeric SMILES

CC1CC(CN(C1)C2=NC(=O)C3=C(N2)NC(=O)CC3C(=O)NC4=CC=C(C=C4)C(=C)C)C.O

InChI

InChI=1S/C24H29N5O3.H2O/c1-13(2)16-5-7-17(8-6-16)25-22(31)18-10-19(30)26-21-20(18)23(32)28-24(27-21)29-11-14(3)9-15(4)12-29;/h5-8,14-15,18H,1,9-12H2,2-4H3,(H,25,31)(H2,26,27,28,30,32);1H2