(6S)-2-azanyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)-4-pyrazolyl]-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)N2C=C(C=N2)C3(CC(=O)N(C(=N3)N)C)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)N2C=C(C=N2)[C@@]3(CC(=O)N(C(=N3)N)C)C

InChI

InChI=1S/C18H19N5O/c1-4-6-13-7-5-8-15(9-13)23-12-14(11-20-23)18(2)10-16(24)22(3)17(19)21-18/h5,7-9,11-12H,10H2,1-3H3,(H2,19,21)/t18-/m0/s1