2,8-bis(azanyl)-9-[(4-methylthiophen-2-yl)methyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[(4-methylthiophen-2-yl)methyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[(4-methyl-2-thienyl)methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[(4-methyl-2-thiophenyl)methyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[(4-methylthiophen-2-yl)methyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[(4-methyl-2-thienyl)methyl]-3H-purin-6-one Formula: C11H12N6OS MolecularWeight: 276.31758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N

Isomeric SMILES

CC1=CSC(=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N

InChI

InChI=1S/C11H12N6OS/c1-5-2-6(19-4-5)3-17-8-7(14-11(17)13)9(18)16-10(12)15-8/h2,4H,3H2,1H3,(H2,13,14)(H3,12,15,16,18)