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

Systemtic Name: (5R,6S)-2-azanyl-5-cyclopropyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one Openeye Name: (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one CAS Name: (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)-4-pyrazolyl]-5H-pyrimidin-4-one IUPAC Name: (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one Traditional Name: (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[1-(3-prop-1-ynylphenyl)pyrazol-4-yl]-5H-pyrimidin-4-one Formula: C21H23N5O MolecularWeight: 361.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)N2C=C(C=N2)C3(C(C(=O)N(C(=N3)N)C)C4CC4)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)N2C=C(C=N2)[C@@]3([C@H](C(=O)N(C(=N3)N)C)C4CC4)C

InChI

InChI=1S/C21H23N5O/c1-4-6-14-7-5-8-17(11-14)26-13-16(12-23-26)21(2)18(15-9-10-15)19(27)25(3)20(22)24-21/h5,7-8,11-13,15,18H,9-10H2,1-3H3,(H2,22,24)/t18-,21+/m0/s1