6-methyl-4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-quinazoline

Systemtic Name: 6-methyl-4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-quinazoline Openeye Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-6-methyl-quinazoline CAS Name: 6-methyl-4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]quinazoline IUPAC Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-6-methylquinazoline Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-6-methyl-quinazoline Formula: C24H23N7O3 MolecularWeight: 457.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N7O3/c1-17-7-8-20-19(13-17)23(27-15-25-20)34-24-21(31(32)33)22(26-16-28-24)30-11-9-29(10-12-30)14-18-5-3-2-4-6-18/h2-8,13,15-16H,9-12,14H2,1H3