1-[4-[[4-(4-azanyl-3-nitro-phenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-ol

Systemtic Name: 1-[4-[[4-(4-azanyl-3-nitro-phenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-ol Openeye Name: 1-[4-[[4-(4-amino-3-nitro-phenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-ol CAS Name: 1-[4-[[4-(4-amino-3-nitrophenyl)-2-pyrimidinyl]amino]phenyl]-3-pyrrolidinol IUPAC Name: 1-[4-[[4-(4-amino-3-nitrophenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-ol Traditional Name: 1-[4-[[4-(4-amino-3-nitro-phenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-ol Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3/c21-17-6-1-13(11-19(17)26(28)29)18-7-9-22-20(24-18)23-14-2-4-15(5-3-14)25-10-8-16(27)12-25/h1-7,9,11,16,27H,8,10,12,21H2,(H,22,23,24)