sodium 10-(2,2-dimethylpropanoylamino)-4-oxidanylidene-pyrimido[1,2-c]quinazoline-3-carboxylate

Systemtic Name: sodium 10-(2,2-dimethylpropanoylamino)-4-oxidanylidene-pyrimido[1,2-c]quinazoline-3-carboxylate Openeye Name: sodium 10-(2,2-dimethylpropanoylamino)-4-oxo-pyrimido[1,2-c]quinazoline-3-carboxylate CAS Name: sodium 10-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-3-pyrimido[1,2-c]quinazolinecarboxylate IUPAC Name: sodium 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate Traditional Name: sodium 4-keto-10-(pivaloylamino)pyrimido[1,2-c]quinazoline-3-carboxylate Formula: C17H15N4NaO4 MolecularWeight: 362.31517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC2=C(C=C1)N=CN3C2=NC=C(C3=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC2=C(C=C1)N=CN3C2=NC=C(C3=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16N4O4.Na/c1-17(2,3)16(25)20-9-4-5-12-10(6-9)13-18-7-11(15(23)24)14(22)21(13)8-19-12;/h4-8H,1-3H3,(H,20,25)(H,23,24);/q;+1/p-1