(phenylmethyl) 2-azanyl-7a-(5-bromanylthiophen-2-yl)-3-methyl-4-oxidanylidene-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-7a-(5-bromanylthiophen-2-yl)-3-methyl-4-oxidanylidene-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylate Openeye Name: benzyl 2-amino-7a-(5-bromo-2-thienyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylate CAS Name: 2-amino-7a-(5-bromo-2-thiophenyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-7a-(5-bromothiophen-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-7a-(5-bromo-2-thienyl)-4-keto-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=C(S3)Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=C(S3)Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H19BrN4O3S/c1-23-16(25)13-9-24(18(26)27-10-12-5-3-2-4-6-12)11-19(13,22-17(23)21)14-7-8-15(20)28-14/h2-8,13H,9-11H2,1H3,(H2,21,22)