2-(3-azanylpropylamino)-9-[(2-ethynylphenyl)methyl]-7H-purin-8-one

Systemtic Name: 2-(3-azanylpropylamino)-9-[(2-ethynylphenyl)methyl]-7H-purin-8-one Openeye Name: 2-(3-aminopropylamino)-9-[(2-ethynylphenyl)methyl]-7H-purin-8-one CAS Name: 2-(3-aminopropylamino)-9-[(2-ethynylphenyl)methyl]-7H-purin-8-one IUPAC Name: 2-(3-aminopropylamino)-9-[(2-ethynylphenyl)methyl]-7H-purin-8-one Traditional Name: 2-(3-aminopropylamino)-9-(2-ethynylbenzyl)-7H-purin-8-one Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1CN2C3=NC(=NC=C3NC2=O)NCCCN

Isomeric SMILES

C#CC1=CC=CC=C1CN2C3=NC(=NC=C3NC2=O)NCCCN

InChI

InChI=1S/C17H18N6O/c1-2-12-6-3-4-7-13(12)11-23-15-14(21-17(23)24)10-20-16(22-15)19-9-5-8-18/h1,3-4,6-7,10H,5,8-9,11,18H2,(H,21,24)(H,19,20,22)