ethyl 4-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazin-1-yl]benzoate CAS Name: 4-[4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazino]benzoic acid ethyl ester Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(N=C(N=C3N)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(N=C(N=C3N)N)C

InChI

InChI=1S/C18H24N6O2/c1-3-26-17(25)13-4-6-14(7-5-13)23-8-10-24(11-9-23)15-12(2)21-18(20)22-16(15)19/h4-7H,3,8-11H2,1-2H3,(H4,19,20,21,22)