(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: (4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid (4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)COC(=O)C4=C(C=CS4)N5C=CC=C5)N

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)COC(=O)C4=C(C=CS4)N5C=CC=C5)N

InChI

InChI=1S/C20H18N4O2S2/c21-18-16-12-5-1-2-6-14(12)28-19(16)23-15(22-18)11-26-20(25)17-13(7-10-27-17)24-8-3-4-9-24/h3-4,7-10H,1-2,5-6,11H2,(H2,21,22,23)