8-azanyl-2-(2-methoxy-5-propan-2-yl-phenyl)purin-6-one; (sulfinoamino)methane

Systemtic Name: 8-azanyl-2-(2-methoxy-5-propan-2-yl-phenyl)purin-6-one; (sulfinoamino)methane Openeye Name: 8-amino-2-(5-isopropyl-2-methoxy-phenyl)purin-6-one; (sulfinoamino)methane CAS Name: 8-amino-2-(2-methoxy-5-propan-2-ylphenyl)-6-purinone; (sulfinoamino)methane IUPAC Name: 8-amino-2-(2-methoxy-5-propan-2-ylphenyl)purin-6-one; (sulfinoamino)methane Traditional Name: 8-amino-2-(5-isopropyl-2-methoxy-phenyl)purin-6-one; (sulfinoamino)methane Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC)C2=NC(=O)C3=NC(=NC3=N2)N.CNS(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC)C2=NC(=O)C3=NC(=NC3=N2)N.CNS(=O)O

InChI

InChI=1S/C15H15N5O2.CH5NO2S/c1-7(2)8-4-5-10(22-3)9(6-8)12-18-13-11(14(21)19-12)17-15(16)20-13;1-2-5(3)4/h4-7H,1-3H3,(H2,16,18,19,20,21);2H,1H3,(H,3,4)