prop-2-enyl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: prop-2-enyl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(3-methyl-1-piperazinyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(3-methylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=NC3=C(C(=C(S3)C(=O)OCC=C)C)C(=O)N2

Isomeric SMILES

CC1CN(CCN1)CC2=NC3=C(C(=C(S3)C(=O)OCC=C)C)C(=O)N2

InChI

InChI=1S/C17H22N4O3S/c1-4-7-24-17(23)14-11(3)13-15(22)19-12(20-16(13)25-14)9-21-6-5-18-10(2)8-21/h4,10,18H,1,5-9H2,2-3H3,(H,19,20,22)