6-chloranyl-5-(phenylmethyl)-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 6-chloranyl-5-(phenylmethyl)-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-chloro-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 6-chloro-5-(phenylmethyl)-7-(3-pyridinyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-chloro-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-chloro-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C18H13ClN4O MolecularWeight: 336.77502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=C2Cl)C4=CN=CC=C4)NC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=C2Cl)C4=CN=CC=C4)NC=NC3=O

InChI

InChI=1S/C18H13ClN4O/c19-17-14(13-7-4-8-20-9-13)15-16(18(24)22-11-21-15)23(17)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,22,24)