S-[[4-[[6-(pyrrolidin-1-ylcarbonylamino)pyrimidin-4-yl]amino]phenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[4-[[6-(pyrrolidin-1-ylcarbonylamino)pyrimidin-4-yl]amino]phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[4-[[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]amino]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[oxo-[4-[[6-[[oxo(1-pyrrolidinyl)methyl]amino]-4-pyrimidinyl]amino]anilino]methyl]amino] ester IUPAC Name: S-[[4-[[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]amino]phenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[4-[[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]amino]phenyl]carbamoylamino] ester Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=NC=NC(=C2)NC3=CC=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)NC2=NC=NC(=C2)NC3=CC=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N7O3S/c32-22(14-17-6-2-1-3-7-17)35-30-23(33)28-19-10-8-18(9-11-19)27-20-15-21(26-16-25-20)29-24(34)31-12-4-5-13-31/h1-3,6-11,15-16H,4-5,12-14H2,(H2,28,30,33)(H2,25,26,27,29,34)