[6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-prop-2-enoylpiperazine-1-carboxylate hydrate

Systemtic Name: [6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-prop-2-enoylpiperazine-1-carboxylate hydrate Openeye Name: [6-(5-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-prop-2-enoylpiperazine-1-carboxylate hydrate CAS Name: 4-(1-oxoprop-2-enyl)-1-piperazinecarboxylic acid [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester hydrate IUPAC Name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-prop-2-enoylpiperazine-1-carboxylate hydrate Traditional Name: 4-acryloylpiperazine-1-carboxylic acid [6-(5-chloro-2-pyridyl)-5-keto-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester hydrate Formula: C19H19ClN6O5 MolecularWeight: 446.84436

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl.O

Isomeric SMILES

C=CC(=O)N1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl.O

InChI

InChI=1S/C19H17ClN6O4.H2O/c1-2-14(27)24-7-9-25(10-8-24)19(29)30-18-16-15(21-5-6-22-16)17(28)26(18)13-4-3-12(20)11-23-13;/h2-6,11,18H,1,7-10H2;1H2