2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 1-[(E)-(3-azanylpyridin-2-yl)methylideneamino]thiourea

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 1-[(E)-(3-azanylpyridin-2-yl)methylideneamino]thiourea Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; [(E)-(3-amino-2-pyridyl)methyleneamino]thiourea CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; [(E)-(3-amino-2-pyridinyl)methylideneamino]thiourea IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; [(E)-(3-aminopyridin-2-yl)methylideneamino]thiourea Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; [(E)-(3-amino-2-pyridyl)methyleneamino]thiourea Formula: C15H20N10O3S MolecularWeight: 420.4495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C=NNC(=S)N)N.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C1=CC(=C(N=C1)/C=N/NC(=S)N)N.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C8H11N5O3.C7H9N5S/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;8-5-2-1-3-10-6(5)4-11-12-7(9)13/h3,14H,1-2,4H2,(H3,9,11,12,15);1-4H,8H2,(H3,9,12,13)/b;11-4+