2-[(6-aminopurin-9-yl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methylphenyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-(o-tolyl)thieno[3,2-d]pyrimidin-4-one Formula: C19H15N7OS MolecularWeight: 389.4337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)SC=C3)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)SC=C3)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C19H15N7OS/c1-11-4-2-3-5-13(11)26-14(24-12-6-7-28-16(12)19(26)27)8-25-10-23-15-17(20)21-9-22-18(15)25/h2-7,9-10H,8H2,1H3,(H2,20,21,22)