8-azanyl-2-(4-methyl-3-propoxy-phenyl)purin-6-one; (sulfinoamino)methane

Systemtic Name: 8-azanyl-2-(4-methyl-3-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Openeye Name: 8-amino-2-(4-methyl-3-propoxy-phenyl)purin-6-one; (sulfinoamino)methane CAS Name: 8-amino-2-(4-methyl-3-propoxyphenyl)-6-purinone; (sulfinoamino)methane IUPAC Name: 8-amino-2-(4-methyl-3-propoxyphenyl)purin-6-one; (sulfinoamino)methane Traditional Name: 8-amino-2-(4-methyl-3-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N)C.CNS(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N)C.CNS(=O)O

InChI

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