N4-(furan-2-ylmethyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(furan-2-ylmethyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-furylmethyl)-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-2-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H20N6O3 MolecularWeight: 332.3577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C15H20N6O3/c1-10-4-2-6-20(9-10)15-18-13(16)12(21(22)23)14(19-15)17-8-11-5-3-7-24-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H3,16,17,18,19)/t10-/m0/s1