methyl 2-[4-azanyl-5-[2-[[5-(4-chlorophenyl)-4-prop-2-enyl-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-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: methyl 2-[5-[2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-amino-3-benzyl-2,6-dioxo-pyrimidin-1-yl]acetate CAS Name: 2-[4-amino-5-[2-[[5-(4-chlorophenyl)-4-prop-2-enyl-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-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,6-dioxopyrimidin-1-yl]acetate Traditional Name: 2-[5-[2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]-4-amino-3-benzyl-2,6-diketo-pyrimidin-1-yl]acetic acid methyl ester Formula: C27H25ClN6O5S MolecularWeight: 581.0426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN6O5S/c1-3-13-32-24(18-9-11-19(28)12-10-18)30-31-26(32)40-16-20(35)22-23(29)33(14-17-7-5-4-6-8-17)27(38)34(25(22)37)15-21(36)39-2/h3-12H,1,13-16,29H2,2H3