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

Systemtic Name: (6S)-2-azanyl-6-[1-(3-chloranyl-5-prop-1-ynyl-phenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-6-[1-(3-chloro-5-prop-1-ynyl-phenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-6-[1-(3-chloro-5-prop-1-ynylphenyl)-4-pyrazolyl]-3,6-dimethyl-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-6-[1-(3-chloro-5-prop-1-ynylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-6-[1-(3-chloro-5-prop-1-ynyl-phenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one Formula: C18H18ClN5O MolecularWeight: 355.82142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O/c1-4-5-12-6-14(19)8-15(7-12)24-11-13(10-21-24)18(2)9-16(25)23(3)17(20)22-18/h6-8,10-11H,9H2,1-3H3,(H2,20,22)/t18-/m0/s1