methyl 2-[4-azanyl-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-azanyl-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: methyl 2-[4-amino-3-benzyl-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,6-dioxo-pyrimidin-1-yl]acetate CAS Name: 2-[4-amino-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2,6-dioxo-3-(phenylmethyl)-1-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-amino-3-benzyl-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,6-dioxopyrimidin-1-yl]acetate Traditional Name: 2-[4-amino-3-benzyl-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]-2,6-diketo-pyrimidin-1-yl]acetic acid methyl ester Formula: C29H32N6O5S MolecularWeight: 576.66658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=C(N(C(=O)N(C3=O)CC(=O)OC)CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=C(N(C(=O)N(C3=O)CC(=O)OC)CC4=CC=CC=C4)N

InChI

InChI=1S/C29H32N6O5S/c1-29(2,3)20-13-11-19(12-14-20)25-31-32-27(33(25)4)41-17-21(36)23-24(30)34(15-18-9-7-6-8-10-18)28(39)35(26(23)38)16-22(37)40-5/h6-14H,15-17,30H2,1-5H3