tert-butyl 4-[5-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-carbamoyl-5-ureido-2-thienyl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]-2-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-carbamoyl-5-ureido-2-thienyl)pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N7O4S MolecularWeight: 447.5113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)C3=CC(=C(S3)NC(=O)N)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)C3=CC(=C(S3)NC(=O)N)C(=O)N

InChI

InChI=1S/C19H25N7O4S/c1-19(2,3)30-18(29)26-6-4-25(5-7-26)17-22-9-11(10-23-17)13-8-12(14(20)27)15(31-13)24-16(21)28/h8-10H,4-7H2,1-3H3,(H2,20,27)(H3,21,24,28)