cyclohexyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(1,3-benzodioxol-5-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCC5

InChI

InChI=1S/C21H21N3O4S/c1-12-17-19(24-13-7-8-15-16(9-13)27-11-26-15)22-10-23-20(17)29-18(12)21(25)28-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,22,23,24)