5-[(4-chlorophenyl)methylamino]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[(4-chlorophenyl)methylamino]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-5-[(4-chlorophenyl)methylamino]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(4-chlorophenyl)methylamino]-1,3-dimethyl-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[(4-chlorophenyl)methylamino]-1,3-dimethyl-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-5-[(4-chlorobenzyl)amino]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C17H18ClN5O/c1-4-9-23-16(24)15-14(11(2)21-22(15)3)20-17(23)19-10-12-5-7-13(18)8-6-12/h4-8H,1,9-10H2,2-3H3,(H,19,20)