tert-butyl 3-[(4Z)-2-azanyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4Z)-2-azanyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4Z)-2-amino-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4Z)-2-amino-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4Z)-2-amino-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4Z)-2-amino-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C=CC=CC3=O)N=C(N2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C=CC=CC3=O)/N=C(N2)N

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)24-10-6-7-13(12-24)15-11-16(23-18(21)22-15)14-8-4-5-9-17(14)25/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H3,21,22,23)/b16-14-