methyl 2-[2-(5-azanyl-3-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(5-azanyl-3-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(5-amino-3-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(5-amino-3-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(5-amino-3-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(5-amino-3-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H21N5O6S MolecularWeight: 507.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=C1)N)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N5O6S/c1-13-7-20(25)29(27-13)21(30)11-36-24-26-17-9-15(23(32)33-2)4-5-16(17)22(31)28(24)10-14-3-6-18-19(8-14)35-12-34-18/h3-9H,10-12,25H2,1-2H3