[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: [6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-azanylpyrazine-2-carboxylate Openeye Name: [6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4=NC=CN=C4N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4=NC=CN=C4N)C

InChI

InChI=1S/C20H17N5O3S/c1-10-3-5-12(6-4-10)14-11(2)29-19-15(14)18(26)24-13(25-19)9-28-20(27)16-17(21)23-8-7-22-16/h3-8H,9H2,1-2H3,(H2,21,23)(H,24,25,26)