methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate CAS Name: 2-[[[5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate Traditional Name: 2-[[5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid methyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NCC(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NCC(=O)OC

InChI

InChI=1S/C21H23N5O3S/c1-14-17-19(26-10-8-25(9-11-26)15-6-4-3-5-7-15)23-13-24-21(17)30-18(14)20(28)22-12-16(27)29-2/h3-7,13H,8-12H2,1-2H3,(H,22,28)