2-(1-oxidanylbutan-2-ylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-7H-purine-8-thione

Systemtic Name: 2-(1-oxidanylbutan-2-ylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-7H-purine-8-thione Openeye Name: 6-(benzylamino)-2-[1-(hydroxymethyl)propylamino]-9-isopropyl-7H-purine-8-thione CAS Name: 2-(1-hydroxybutan-2-ylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-7H-purine-8-thione IUPAC Name: 6-(benzylamino)-2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-7H-purine-8-thione Traditional Name: 6-(benzylamino)-9-isopropyl-2-(1-methylolpropylamino)-7H-purine-8-thione Formula: C19H26N6OS MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)NC(=S)N2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)NC(=S)N2C(C)C

InChI

InChI=1S/C19H26N6OS/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24)