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

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate Openeye Name: ethyl 4-[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]azobenzoate CAS Name: 4-[[2,4-diamino-6-[4-(2-chloroethyl)-1-piperazinyl]-5-pyrimidinyl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate Traditional Name: 4-[2,4-diamino-6-[4-(2-chloroethyl)piperazino]pyrimidin-5-yl]azobenzoic acid ethyl ester Formula: C19H25ClN8O2 MolecularWeight: 432.9072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N3CCN(CC3)CCCl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N3CCN(CC3)CCCl

InChI

InChI=1S/C19H25ClN8O2/c1-2-30-18(29)13-3-5-14(6-4-13)25-26-15-16(21)23-19(22)24-17(15)28-11-9-27(8-7-20)10-12-28/h3-6H,2,7-12H2,1H3,(H4,21,22,23,24)