2-azanyl-8-(3-methoxyphenyl)sulfanyl-9-(propan-2-yloxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-8-(3-methoxyphenyl)sulfanyl-9-(propan-2-yloxymethyl)-3H-purin-6-one Openeye Name: 2-amino-9-(isopropoxymethyl)-8-(3-methoxyphenyl)sulfanyl-3H-purin-6-one CAS Name: 2-amino-8-[(3-methoxyphenyl)thio]-9-(propan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-(3-methoxyphenyl)sulfanyl-9-(propan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-(isopropoxymethyl)-8-[(3-methoxyphenyl)thio]-3H-purin-6-one Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCN1C2=C(C(=O)N=C(N2)N)N=C1SC3=CC=CC(=C3)OC

Isomeric SMILES

CC(C)OCN1C2=C(C(=O)N=C(N2)N)N=C1SC3=CC=CC(=C3)OC

InChI

InChI=1S/C16H19N5O3S/c1-9(2)24-8-21-13-12(14(22)20-15(17)19-13)18-16(21)25-11-6-4-5-10(7-11)23-3/h4-7,9H,8H2,1-3H3,(H3,17,19,20,22)