(6S)-2-azanyl-3,6-dimethyl-6-[3-(3-prop-2-enoxyphenyl)phenyl]-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-3,6-dimethyl-6-[3-(3-prop-2-enoxyphenyl)phenyl]-5H-pyrimidin-4-one Openeye Name: (6S)-6-[3-(3-allyloxyphenyl)phenyl]-2-amino-3,6-dimethyl-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-3,6-dimethyl-6-[3-(3-prop-2-enoxyphenyl)phenyl]-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-3,6-dimethyl-6-[3-(3-prop-2-enoxyphenyl)phenyl]-5H-pyrimidin-4-one Traditional Name: (6S)-6-[3-(3-allyloxyphenyl)phenyl]-2-amino-3,6-dimethyl-5H-pyrimidin-4-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C(=N1)N)C)C2=CC=CC(=C2)C3=CC(=CC=C3)OCC=C

Isomeric SMILES

C[C@]1(CC(=O)N(C(=N1)N)C)C2=CC=CC(=C2)C3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C21H23N3O2/c1-4-11-26-18-10-6-8-16(13-18)15-7-5-9-17(12-15)21(2)14-19(25)24(3)20(22)23-21/h4-10,12-13H,1,11,14H2,2-3H3,(H2,22,23)/t21-/m0/s1