N4-ethyl-N4-naphthalen-1-yl-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-naphthalen-1-yl-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(1-naphthyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(1-naphthalenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-naphthalen-1-yl-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: ethyl-(1-naphthyl)-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NCC4CCCO4

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NCC4CCCO4

InChI

InChI=1S/C21H23N5O3/c1-2-25(18-11-5-8-15-7-3-4-10-17(15)18)21-19(26(27)28)20(23-14-24-21)22-13-16-9-6-12-29-16/h3-5,7-8,10-11,14,16H,2,6,9,12-13H2,1H3,(H,22,23,24)