ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-8-methyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate dihydrate

Systemtic Name: ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-8-methyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate dihydrate Openeye Name: ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-8-methyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate dihydrate CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-8-methyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester dihydrate IUPAC Name: ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-8-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate dihydrate Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]-5-keto-8-methyl-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester dihydrate Formula: C17H27N5O6 MolecularWeight: 397.42618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)N3CCN(CC3)CCO)C.O.O

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)N3CCN(CC3)CCO)C.O.O

InChI

InChI=1S/C17H23N5O4.2H2O/c1-3-26-16(25)13-11-20(2)15-12(14(13)24)10-18-17(19-15)22-6-4-21(5-7-22)8-9-23;;/h10-11,23H,3-9H2,1-2H3;2*1H2