6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-(2-oxolanylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4CCCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4CCCO4)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N6O3/c1-15-5-3-7-18(16(15)2)25-8-10-26(11-9-25)21-19(27(28)29)20(23-14-24-21)22-13-17-6-4-12-30-17/h3,5,7,14,17H,4,6,8-13H2,1-2H3,(H,22,23,24)