6-[(cyclopentylamino)methyl]-3-[(4-methoxyphenyl)methyl]-5-nitro-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-[(cyclopentylamino)methyl]-3-[(4-methoxyphenyl)methyl]-5-nitro-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-[(cyclopentylamino)methyl]-3-[(4-methoxyphenyl)methyl]-5-nitro-1-propyl-pyrimidine-2,4-dione CAS Name: 6-[(cyclopentylamino)methyl]-3-[(4-methoxyphenyl)methyl]-5-nitro-1-propylpyrimidine-2,4-dione IUPAC Name: 6-[(cyclopentylamino)methyl]-3-[(4-methoxyphenyl)methyl]-5-nitro-1-propylpyrimidine-2,4-dione Traditional Name: 6-[(cyclopentylamino)methyl]-5-nitro-3-p-anisyl-1-propyl-pyrimidine-2,4-quinone Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)OC)[N+](=O)[O-])CNC3CCCC3

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)OC)[N+](=O)[O-])CNC3CCCC3

InChI

InChI=1S/C21H28N4O5/c1-3-12-23-18(13-22-16-6-4-5-7-16)19(25(28)29)20(26)24(21(23)27)14-15-8-10-17(30-2)11-9-15/h8-11,16,22H,3-7,12-14H2,1-2H3