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

Systemtic Name: 8-azanyl-2-(5-propan-2-yl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Openeye Name: 8-amino-2-(5-isopropyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane CAS Name: 8-amino-2-(5-propan-2-yl-2-propoxyphenyl)-6-purinone; (sulfinoamino)methane IUPAC Name: 8-amino-2-(5-propan-2-yl-2-propoxyphenyl)purin-6-one; (sulfinoamino)methane Traditional Name: 8-amino-2-(5-isopropyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2.CH5NO2S/c1-4-7-24-12-6-5-10(9(2)3)8-11(12)14-20-15-13(16(23)21-14)19-17(18)22-15;1-2-5(3)4/h5-6,8-9H,4,7H2,1-3H3,(H2,18,20,21,22,23);2H,1H3,(H,3,4)