3-(3-methylphenyl)-2-[1-(7H-purin-6-ylamino)propyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3-methylphenyl)-2-[1-(7H-purin-6-ylamino)propyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(m-tolyl)-2-[1-(7H-purin-6-ylamino)propyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methylphenyl)-2-[1-(7H-purin-6-ylamino)propyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(3-methylphenyl)-2-[1-(7H-purin-6-ylamino)propyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(m-tolyl)-2-[1-(7H-purin-6-ylamino)propyl]thieno[3,2-d]pyrimidin-4-one Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)SC=C2)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CCC(C1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)SC=C2)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H19N7OS/c1-3-14(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-7-8-30-17(15)21(29)28(20)13-6-4-5-12(2)9-13/h4-11,14H,3H2,1-2H3,(H2,22,23,24,25,26)