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

Systemtic Name: (6S)-2-azanyl-5-(4-methoxyphenyl)-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)-2-thiophenyl]-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-5H-pyrimidin-4-one Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1)C2=CSC(=C2)C3(C(C(=O)N(C(=N3)N)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2S/c1-5-6-16-11-18(14-27-13-16)19-12-21(32-15-19)25(2)22(23(30)29(3)24(26)28-25)17-7-9-20(31-4)10-8-17/h7-15,22H,1-4H3,(H2,26,28)/t22?,25-/m1/s1