Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3N(c1nc(ncc1C=C3Oc2ccccc2)NC4CCOCC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccccc4 |
SMILES | CACTVS | 3.341 | CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O3/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22) |
InChIKey | InChI | 1.03 | MQCPQHIQHJWGCZ-UHFFFAOYSA-N |