3-(4-chlorophenyl)-2-(prop-2-ynylamino)pteridin-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-(prop-2-ynylamino)pteridin-4-one Openeye Name: 3-(4-chlorophenyl)-2-(prop-2-ynylamino)pteridin-4-one CAS Name: 3-(4-chlorophenyl)-2-(prop-2-ynylamino)-4-pteridinone IUPAC Name: 3-(4-chlorophenyl)-2-(prop-2-ynylamino)pteridin-4-one Traditional Name: 3-(4-chlorophenyl)-2-(propargylamino)pteridin-4-one Formula: C15H10ClN5O MolecularWeight: 311.7258

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=NC=CN=C2C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCNC1=NC2=NC=CN=C2C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H10ClN5O/c1-2-7-19-15-20-13-12(17-8-9-18-13)14(22)21(15)11-5-3-10(16)4-6-11/h1,3-6,8-9H,7H2,(H,18,19,20)