8-azanyl-2-[5-(phenylmethyl)-2-propoxy-phenyl]purin-6-one; (sulfinoamino)methane

Systemtic Name: 8-azanyl-2-[5-(phenylmethyl)-2-propoxy-phenyl]purin-6-one; (sulfinoamino)methane Openeye Name: 8-amino-2-(5-benzyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane CAS Name: 8-amino-2-[5-(phenylmethyl)-2-propoxyphenyl]-6-purinone; (sulfinoamino)methane IUPAC Name: 8-amino-2-(5-benzyl-2-propoxyphenyl)purin-6-one; (sulfinoamino)methane Traditional Name: 8-amino-2-(5-benzyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=CC=CC=C2)C3=NC(=O)C4=NC(=NC4=N3)N.CNS(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=CC=CC=C2)C3=NC(=O)C4=NC(=NC4=N3)N.CNS(=O)O

InChI

InChI=1S/C21H19N5O2.CH5NO2S/c1-2-10-28-16-9-8-14(11-13-6-4-3-5-7-13)12-15(16)18-24-19-17(20(27)25-18)23-21(22)26-19;1-2-5(3)4/h3-9,12H,2,10-11H2,1H3,(H2,22,24,25,26,27);2H,1H3,(H,3,4)