ethyl 4-[6-azanyl-2-oxidanylidene-1-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-azanyl-2-oxidanylidene-1-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(6-amino-1-benzyl-2-oxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[6-amino-2-oxo-1-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-1-benzyl-2-oxopyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-amino-1-benzyl-2-keto-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=O)N(C(=C2)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=O)N(C(=C2)N)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c1-2-26-18(25)22-10-8-21(9-11-22)16-12-15(19)23(17(24)20-16)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13,19H2,1H3