3-[2-methylpropyl-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]amino]propylcarbamic acid

Systemtic Name: 3-[2-methylpropyl-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]amino]propylcarbamic acid Openeye Name: 3-[(3-benzyl-4-oxo-pteridin-2-yl)-isobutyl-amino]propylcarbamic acid CAS Name: 3-[2-methylpropyl-[4-oxo-3-(phenylmethyl)-2-pteridinyl]amino]propylcarbamic acid IUPAC Name: 3-[(3-benzyl-4-oxopteridin-2-yl)-(2-methylpropyl)amino]propylcarbamic acid Traditional Name: 3-[(3-benzyl-4-keto-pteridin-2-yl)-isobutyl-amino]propylcarbamic acid Formula: C21H26N6O3 MolecularWeight: 410.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)O)C1=NC2=NC=CN=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CCCNC(=O)O)C1=NC2=NC=CN=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O3/c1-15(2)13-26(12-6-9-24-21(29)30)20-25-18-17(22-10-11-23-18)19(28)27(20)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,24H,6,9,12-14H2,1-2H3,(H,29,30)