(6S)-2-azanyl-6-methyl-6-[4-(3-prop-1-ynylphenyl)thiophen-2-yl]-3-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-6-methyl-6-[4-(3-prop-1-ynylphenyl)thiophen-2-yl]-3-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-6-methyl-6-[4-(3-prop-1-ynylphenyl)-2-thienyl]-3-(4-pyridylmethyl)-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-6-methyl-6-[4-(3-prop-1-ynylphenyl)-2-thiophenyl]-3-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-6-methyl-6-[4-(3-prop-1-ynylphenyl)thiophen-2-yl]-3-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-6-methyl-6-[4-(3-prop-1-ynylphenyl)-2-thienyl]-3-(4-pyridylmethyl)-5H-pyrimidin-4-one Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)C2=CSC(=C2)C3(CC(=O)N(C(=N3)N)CC4=CC=NC=C4)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)C2=CSC(=C2)[C@@]3(CC(=O)N(C(=N3)N)CC4=CC=NC=C4)C

InChI

InChI=1S/C24H22N4OS/c1-3-5-17-6-4-7-19(12-17)20-13-21(30-16-20)24(2)14-22(29)28(23(25)27-24)15-18-8-10-26-11-9-18/h4,6-13,16H,14-15H2,1-2H3,(H2,25,27)/t24-/m0/s1