tert-butyl 2-[2-azanyl-7-(4-azanyl-4-oxidanylidene-3-pyrrolidin-1-yl-butoxy)-4H-quinazolin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-azanyl-7-(4-azanyl-4-oxidanylidene-3-pyrrolidin-1-yl-butoxy)-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-amino-7-(4-amino-4-oxo-3-pyrrolidin-1-yl-butoxy)-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[4-amino-4-oxo-3-(1-pyrrolidinyl)butoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-7-(4-amino-4-oxo-3-pyrrolidin-1-ylbutoxy)-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-(4-amino-4-keto-3-pyrrolidino-butoxy)-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC2=C(C=C(C=C2)OCCC(C(=O)N)N3CCCC3)N=C1N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC2=C(C=C(C=C2)OCCC(C(=O)N)N3CCCC3)N=C1N

InChI

InChI=1S/C22H33N5O4/c1-22(2,3)31-19(28)14-27-13-15-6-7-16(12-17(15)25-21(27)24)30-11-8-18(20(23)29)26-9-4-5-10-26/h6-7,12,18H,4-5,8-11,13-14H2,1-3H3,(H2,23,29)(H2,24,25)