S-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate

Systemtic Name: S-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(3-methoxyphenyl)thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate CAS Name: 4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarbothioic acid S-[[4-(3-methoxyphenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Traditional Name: 4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazine-1-carbothioic acid S-[[4-(3-methoxyphenyl)thiazol-2-yl]amino] ester Formula: C27H34N8O2S2 MolecularWeight: 566.74126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)NSC(=O)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)NSC(=O)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6

InChI

InChI=1S/C27H34N8O2S2/c1-37-21-8-6-7-20(17-21)22-19-38-26(28-22)31-39-27(36)35-15-13-33(14-16-35)24-18-23(32-9-2-3-10-32)29-25(30-24)34-11-4-5-12-34/h6-8,17-19H,2-5,9-16H2,1H3,(H,28,31)