tert-butyl 4-(1H-indol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-(1H-indol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(1H-indol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1H-indol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1H-indol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1H-indol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)NC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)NC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21N3O3/c1-10-14(16(22)24-18(2,3)4)15(21-17(23)20-10)12-5-6-13-11(9-12)7-8-19-13/h5-9,15,19H,1-4H3,(H2,20,21,23)